CAS 1226-42-2 | 1,2-Ethanedione, 1,2-bis(4-methoxyphenyl)- | CAS Number 1226-42-2

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1226-42-2 | 1,2-Ethanedione, 1,2-bis(4-methoxyphenyl)-

CAS No: 1226-42-2 Catalog No: AG0017IF MDL No:MFCD00008405

Product Description

Catalog Number:

AG0017IF

Chemical Name:

1,2-Ethanedione, 1,2-bis(4-methoxyphenyl)-

CAS Number:

1226-42-2

Molecular Formula:

C16H14O4

Molecular Weight:

270.2800

MDL Number:

MFCD00008405

IUPAC Name:

1,2-bis(4-methoxyphenyl)ethane-1,2-dione

InChI:

InChI=1S/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3

InChI Key:

YNANGXWUZWWFKX-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)C(=O)C(=O)c1ccc(cc1)OC

EC Number:

214-960-5

Properties

Complexity:

302

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.284g/mol

Monoisotopic Mass:

270.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis.	Bioorganic & medicinal chemistry 20090101
Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.	Journal of medicinal chemistry 20050421
The study on the synthesis and the effects on the intracellular calcium of some 9-substituted-phenanthrene derivatives.	Bollettino chimico farmaceutico 20040401
Diffuse X-ray scattering from 4,4'-dimethoxybenzil, C16H14O4: analysis via automatic refinement of a Monte Carlo model.	Acta crystallographica. Section B, Structural science 20031201